[3-(aminomethyl)azepan-1-yl]-cyclopropylmethanone

C11H20N2O — CID 130577977

IUPAC[3-(aminomethyl)azepan-1-yl]-cyclopropylmethanone
SMILESNCC1CCCCN(C(=O)C2CC2)C1
InChIInChI=1S/C11H20N2O/c12-7-9-3-1-2-6-13(8-9)11(14)10-4-5-10/h9-10H,1-8,12H2
InChIKeyRJMCGOMEVVOVOO-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.98
Rot. Bonds2

About [3-(aminomethyl)azepan-1-yl]-cyclopropylmethanone

[3-(aminomethyl)azepan-1-yl]-cyclopropylmethanone (PubChem CID 130577977) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is [3-(aminomethyl)azepan-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[3-(aminomethyl)azepan-1-yl]-cyclopropylmethanone
PubChem CID130577977
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name[3-(aminomethyl)azepan-1-yl]-cyclopropylmethanone
SMILESNCC1CCCCN(C(=O)C2CC2)C1
InChIInChI=1S/C11H20N2O/c12-7-9-3-1-2-6-13(8-9)11(14)10-4-5-10/h9-10H,1-8,12H2
InChIKeyRJMCGOMEVVOVOO-UHFFFAOYSA-N
XLogP0.98
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(aminomethyl)piperidin-1-yl]-cyclooctylmethanone
CID 65019049
[3-(aminomethyl)piperidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119260151
[3-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone
CID 62067909
[3-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119260304
[4-(aminomethyl)cyclohexyl]-(3-ethylpiperidin-1-yl)methanone
CID 62806234
[3-(aminomethyl)piperidin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride
CID 166595296
[3-(aminomethyl)piperidin-1-yl]-(oxan-3-yl)methanone
CID 62759775
cyclopropyl-[(3R)-3-ethylpiperidin-1-yl]methanone
CID 176933785
[3-(2-aminoethyl)piperidin-1-yl]-cyclobutylmethanone
CID 63766706
[3-(aminomethyl)piperidin-1-yl]-(oxan-3-yl)methanone;hydrochloride
CID 119464992
(4-aminocyclohexyl)-(3-ethylpiperidin-1-yl)methanone
CID 60846917
[3-(aminomethyl)piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 66476448

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)azepan-1-yl]-cyclopropylmethanone?
The IUPAC name of [3-(aminomethyl)azepan-1-yl]-cyclopropylmethanone (CID 130577977) is [3-(aminomethyl)azepan-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [3-(aminomethyl)azepan-1-yl]-cyclopropylmethanone?
The canonical SMILES for [3-(aminomethyl)azepan-1-yl]-cyclopropylmethanone is NCC1CCCCN(C(=O)C2CC2)C1.
What is the InChIKey of [3-(aminomethyl)azepan-1-yl]-cyclopropylmethanone?
The InChIKey is RJMCGOMEVVOVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c12-7-9-3-1-2-6-13(8-9)11(14)10-4-5-10/h9-10H,1-8,12H2.
What are the key properties of [3-(aminomethyl)azepan-1-yl]-cyclopropylmethanone?
[3-(aminomethyl)azepan-1-yl]-cyclopropylmethanone has a molecular weight of 196.29 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)azepan-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 130577977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).